[1-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] 2-(4-chlorophenyl)propanoate

Systemtic Name: [1-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] 2-(4-chlorophenyl)propanoate Openeye Name: [1-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] 2-(4-chlorophenyl)propanoate CAS Name: 2-(4-chlorophenyl)propanoic acid [1-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [1-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxidoimidazolidin-3-ium-4-yl] 2-(4-chlorophenyl)propanoate Traditional Name: 2-(4-chlorophenyl)propionic acid [1-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C16H19ClN4O3S MolecularWeight: 382.86506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)[N+]2(CN(CC2OC(=O)C(C)C3=CC=C(C=C3)Cl)C)[O-]

Isomeric SMILES

CC1=NN=C(S1)[N+]2(CN(CC2OC(=O)C(C)C3=CC=C(C=C3)Cl)C)[O-]

InChI

InChI=1S/C16H19ClN4O3S/c1-10(12-4-6-13(17)7-5-12)15(22)24-14-8-20(3)9-21(14,23)16-19-18-11(2)25-16/h4-7,10,14H,8-9H2,1-3H3